Universal:dpcoa
3'-dephospho-CoA(2-)
Default Component
dpcoa:-2
- 3'-dephospho-CoA(2-)
- Charge: -2
- Formula: C21H33N7O13P2S
CHEBI:57328
- 3'-dephospho-CoA(2-)
- Type: Small Molecule
- InChiKey: KDTSHFARGAKYJN-IBOSZNHHSA-L
- View on ChEBI
Properties
- Molecular Mass||g/mol: 685.538[0], 685.0[1]
- SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS[0,1]
- Names: 3'-dephospho-CoA[0,1], adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] diphosphate}[0], Dephospho-CoA[1], 3'-Dephospho-CoA[1], 3-dephospho-CoA[1], Dephosphocoenzyme A[1], dephospho-CoA[1], dephosphocoenzyme A[1]
Linkouts
- CHEBI: 57328 [0]
- MetaCyc Compound: DEPHOSPHO-COA [0,1]
- SEED Compound: cpd00655 [1]
- KEGG Compound: C00882 [1]
- MetaNetX Chemical: MNXM481 [1]
Alternative Component
dpcoa:0
- 3'-dephospho-CoA
- Charge: 0
- Formula: C21H35N7O13P2S
CHEBI:15468
- 3'-dephospho-CoA
- Type: Small Molecule
- InChiKey: KDTSHFARGAKYJN-IBOSZNHHSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 687.55[0]
- SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(=O)NCCC(=O)NCCS[0]
- Names: Dephospho-CoA[0], adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}[0], dephospho coenzyme A[0], Dephosphocoenzyme A[0]
Linkouts
- CHEBI: 15468 [0]
- KEGG Compound: C00882 [0]
- DrugBank: DB03170 [0]
- HMDB: HMDB0001373 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |